3-(3,5-ditert-butyl-4-oxidanyl-phenyl)pentane-3-sulfonic acid

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)pentane-3-sulfonic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)pentane-3-sulfonic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-pentanesulfonic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)pentane-3-sulfonic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)pentane-3-sulfonic acid Formula: C19H32O4S MolecularWeight: 356.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C19H32O4S/c1-9-19(10-2,24(21,22)23)13-11-14(17(3,4)5)16(20)15(12-13)18(6,7)8/h11-12,20H,9-10H2,1-8H3,(H,21,22,23)